4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide

C13H18N2O — CID 61223755

IUPAC4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
SMILESCC1(C)CC1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O/c1-13(2)7-11(13)15-8-9-3-5-10(6-4-9)12(14)16/h3-6,11,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyJUOGEPSJZPJACB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.67
Rot. Bonds4

About 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide

4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide (PubChem CID 61223755) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
PubChem CID61223755
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
SMILESCC1(C)CC1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O/c1-13(2)7-11(13)15-8-9-3-5-10(6-4-9)12(14)16/h3-6,11,15H,7-8H2,1-2H3,(H2,14,16)
InChIKeyJUOGEPSJZPJACB-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031859
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophene-3-carboxamide
CID 79614212
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79353421
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
4-[[(1-tert-butylpiperidin-4-yl)amino]methyl]benzamide
CID 60932416
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
CID 63356653
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]benzamide
CID 43180262
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide (CID 61223755) is 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide is CC1(C)CC1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide?
The InChIKey is JUOGEPSJZPJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2)7-11(13)15-8-9-3-5-10(6-4-9)12(14)16/h3-6,11,15H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide?
4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide is sourced from PubChem (CID 61223755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).